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Syntheses and supramolecular structures of two 5-nitrosalicylate titanocene complexes

机译:两种5-硝基水杨酸酯钛茂配合物的合成及超分子结构

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摘要

Two 4-coordinated titanocene complexes,[(eta~5-C_5H_5)_2Ti(O,O')(5-NO_2-OCC_6H_3)] (I) and [(eta~5-C_5H_5)_2Ti(2-OH-5-NO_2-O_2CC_6H_3)_2] (II),have been synthesized by reaction of Cp_2TiCl_2 and 5-nitrosalicylic acid in aqueous media.Single-crystal X-ray analyses of I and II display the mononu-clear forms of Ti~(IV),and geometries at titanium atoms are distorted tetrahedrons,while the coordination environment at Ti~(IV) in complex I is different from that in complex II.Crystallographic characterization revealed that each of the complexes exhibits a three-dimensional framework constructed through weak interactions,which are H-bonding,pi-pi stacking and C-H...pi interactions,but they differ greatly when forming the three-dimensional network structure in both complexes.The results show that the dramatic change of conditions has great effect on the molecular structure of 5-nitrosalicylate titanocene,thereby significantly influencing the weak interactions and the specific framework structure.
机译:两个4-配位的钛茂金属配合物[[eta〜5-C_5H_5)_2Ti(O,O')(5-NO_2-OCC_6H_3)](I)和[(eta〜5-C_5H_5)_2Ti(2-OH-5- NO_2-O_2CC_6H_3)_2](II)是通过Cp_2TiCl_2和5-硝基水杨酸在水性介质中反应合成的。I和II的单晶X射线分析显示Ti〜(IV)的单核形式,钛原子的几何形状是扭曲的四面体,而配合物I中Ti〜(IV)的配位环境与配合物II中的配位环境不同。晶体学表征表明,每个配合物均表现出通过弱相互作用构造的三维骨架,氢键,π-π堆积和CH ... pi相互作用,但在两种配合物中形成三维网络结构时,它们之间存在很大差异。结果表明,条件的剧烈变化对分子的结构有很大影响。 5-硝基水杨酸酯钛茂,从而显着影响弱相互作用和特定的骨架结构e。

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